5-amino-2-bromo-3-(trifluoromethyl)phenol

C7H5BrF3NO — CID 118800095

IUPAC5-amino-2-bromo-3-(trifluoromethyl)phenol
SMILESNc1cc(O)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H5BrF3NO/c8-6-4(7(9,10)11)1-3(12)2-5(6)13/h1-2,13H,12H2
InChIKeyJCYZEFUDGANVEN-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.76
Rot. Bonds

About 5-amino-2-bromo-3-(trifluoromethyl)phenol

5-amino-2-bromo-3-(trifluoromethyl)phenol (PubChem CID 118800095) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 5-amino-2-bromo-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-amino-2-bromo-3-(trifluoromethyl)phenol
PubChem CID118800095
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name5-amino-2-bromo-3-(trifluoromethyl)phenol
SMILESNc1cc(O)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H5BrF3NO/c8-6-4(7(9,10)11)1-3(12)2-5(6)13/h1-2,13H,12H2
InChIKeyJCYZEFUDGANVEN-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Amino-5-(trifluoromethyl)phenol
CID 14401229
5-Amino-2-bromophenol
CID 10130284
5-Amino-2-bromo-4-methylphenol hydrochloride
CID 155971056
5-Amino-2-bromo-4-fluorophenol
CID 10965651
3-Amino-5-(difluoromethyl)phenol
CID 68226032
5-Amino-2-bromo-4-methylphenol
CID 84776642
5-Amino-2-bromo-3-fluorophenol
CID 84778903
3-Amino-5-(fluoromethyl)phenol
CID 90226419
2-Bromo-5-(fluoroamino)phenol
CID 141044268
Hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium
CID 143262859
5-Amino-2-bromo-4-fluoro-3-(trifluoromethyl)phenol
CID 151467848
4-Bromo-3-(trifluoromethyl)aniline;4-bromo-3-(trifluoromethyl)phenol
CID 157230698

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-3-(trifluoromethyl)phenol?
The IUPAC name of 5-amino-2-bromo-3-(trifluoromethyl)phenol (CID 118800095) is 5-amino-2-bromo-3-(trifluoromethyl)phenol.
What is the SMILES notation for 5-amino-2-bromo-3-(trifluoromethyl)phenol?
The canonical SMILES for 5-amino-2-bromo-3-(trifluoromethyl)phenol is Nc1cc(O)c(Br)c(C(F)(F)F)c1.
What is the InChIKey of 5-amino-2-bromo-3-(trifluoromethyl)phenol?
The InChIKey is JCYZEFUDGANVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-6-4(7(9,10)11)1-3(12)2-5(6)13/h1-2,13H,12H2.
What are the key properties of 5-amino-2-bromo-3-(trifluoromethyl)phenol?
5-amino-2-bromo-3-(trifluoromethyl)phenol has a molecular weight of 256.02 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-3-(trifluoromethyl)phenol is sourced from PubChem (CID 118800095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).